1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol

C12H11F4N3O — CID 163867439

IUPAC1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol
SMILESCC(O)(c1ccncc1)c1nn(CC(F)(F)F)cc1F
InChIInChI=1S/C12H11F4N3O/c1-11(20,8-2-4-17-5-3-8)10-9(13)6-19(18-10)7-12(14,15)16/h2-6,20H,7H2,1H3
InChIKeyFMXKGXPLXQLFOL-UHFFFAOYSA-N
MW289.23 g/mol
LogP2.24
Rot. Bonds3

About 1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol

1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol (PubChem CID 163867439) has the molecular formula C12H11F4N3O and a molecular weight of 289.23 g/mol. Its IUPAC name is 1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol
PubChem CID163867439
Molecular FormulaC12H11F4N3O
Molecular Weight289.23 g/mol
Exact Mass289.08
IUPAC Name1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol
SMILESCC(O)(c1ccncc1)c1nn(CC(F)(F)F)cc1F
InChIInChI=1S/C12H11F4N3O/c1-11(20,8-2-4-17-5-3-8)10-9(13)6-19(18-10)7-12(14,15)16/h2-6,20H,7H2,1H3
InChIKeyFMXKGXPLXQLFOL-UHFFFAOYSA-N
XLogP2.24
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol?
The IUPAC name of 1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol (CID 163867439) is 1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol.
What is the SMILES notation for 1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol?
The canonical SMILES for 1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol is CC(O)(c1ccncc1)c1nn(CC(F)(F)F)cc1F.
What is the InChIKey of 1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol?
The InChIKey is FMXKGXPLXQLFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3O/c1-11(20,8-2-4-17-5-3-8)10-9(13)6-19(18-10)7-12(14,15)16/h2-6,20H,7H2,1H3.
What are the key properties of 1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol?
1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol has a molecular weight of 289.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-pyridin-4-ylethanol is sourced from PubChem (CID 163867439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).